==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 22-MAR-10 3M9F . COMPND 2 MOLECULE: HIV-1 PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR H.P.SU . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10180.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 126 63.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 36.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 21 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 3 0 0 2 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A P 0 0 75 0, 0.0 198,-1.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 167.6 0.8 4.2 -4.9 2 2 A Q E -A 198 0A 129 196,-0.2 2,-0.6 197,-0.1 196,-0.2 -0.987 360.0-161.7-109.3 124.6 0.6 6.5 -2.0 3 3 A I E -A 197 0A 29 194,-3.3 194,-2.4 -2,-0.5 2,-0.0 -0.918 6.3-145.1-112.5 119.0 -0.4 9.9 -3.2 4 4 A T - 0 0 61 -2,-0.6 3,-0.2 192,-0.2 192,-0.1 -0.299 10.0-136.3 -80.7 172.2 0.3 12.9 -1.0 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.1 -1,-0.1 0.205 76.6 103.8-115.5 14.6 -2.0 16.0 -0.8 6 6 A W S S+ 0 0 177 185,-0.1 2,-0.3 184,-0.1 -1,-0.1 0.855 96.8 24.5 -59.0 -35.2 0.7 18.7 -0.8 7 7 A Q S S- 0 0 133 -3,-0.2 0, 0.0 1,-0.0 0, 0.0 -0.826 111.9 -74.0-120.0 165.4 -0.4 19.2 -4.5 8 8 A R - 0 0 138 -2,-0.3 2,-2.0 1,-0.1 119,-0.1 -0.408 52.3-117.1 -54.2 130.8 -3.7 18.4 -6.3 9 9 A P + 0 0 3 0, 0.0 15,-2.8 0, 0.0 2,-0.4 -0.548 49.4 171.1 -77.4 76.9 -3.8 14.6 -6.7 10 10 A L E +D 23 0B 67 -2,-2.0 2,-0.3 13,-0.2 13,-0.2 -0.745 4.3 174.0 -90.8 131.9 -3.8 14.6 -10.5 11 11 A V E -D 22 0B 14 11,-2.9 11,-2.8 -2,-0.4 2,-0.4 -0.886 34.3-101.9-132.1 163.9 -3.3 11.3 -12.3 12 12 A T E -D 21 0B 87 -2,-0.3 55,-2.2 9,-0.2 2,-0.3 -0.745 38.4-173.8 -87.4 134.9 -3.4 10.1 -15.9 13 13 A I E -DE 20 66B 1 7,-3.0 7,-2.3 -2,-0.4 2,-0.4 -0.851 17.2-144.6-120.3 158.3 -6.6 8.3 -17.1 14 14 A K E +DE 19 65B 103 51,-2.3 51,-2.2 -2,-0.3 2,-0.3 -0.998 30.3 157.9-124.5 125.3 -7.5 6.5 -20.3 15 15 A I E > -DE 18 64B 2 3,-2.6 3,-2.1 -2,-0.4 49,-0.1 -0.977 64.7 -3.2-151.1 133.8 -11.0 6.8 -21.5 16 16 A G T 3 S- 0 0 54 47,-0.6 3,-0.1 -2,-0.3 21,-0.1 0.797 128.9 -57.8 52.6 32.9 -12.6 6.4 -25.0 17 17 A G T 3 S+ 0 0 78 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.606 116.1 114.6 74.8 12.8 -9.2 5.9 -26.4 18 18 A Q E < -D 15 0B 76 -3,-2.1 -3,-2.6 2,-0.0 2,-0.5 -0.923 60.9-137.7-115.8 140.4 -8.0 9.3 -25.1 19 19 A L E +D 14 0B 127 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.851 34.8 166.0 -93.7 130.8 -5.3 10.0 -22.4 20 20 A K E -D 13 0B 44 -7,-2.3 -7,-3.0 -2,-0.5 2,-0.4 -0.914 36.6-117.3-140.1 161.3 -6.4 12.8 -20.0 21 21 A E E +D 12 0B 124 -2,-0.3 62,-0.3 -9,-0.2 2,-0.3 -0.883 38.5 178.3-100.4 136.1 -5.3 14.2 -16.6 22 22 A A E -D 11 0B 0 -11,-2.8 -11,-2.9 -2,-0.4 2,-0.5 -0.978 28.4-115.9-142.7 156.5 -7.9 14.0 -13.8 23 23 A L E -Df 10 84B 6 60,-3.2 62,-3.2 -2,-0.3 2,-0.8 -0.759 21.0-133.6 -93.9 124.8 -8.3 14.8 -10.1 24 24 A L E - f 0 85B 0 -15,-2.8 2,-0.6 -2,-0.5 62,-0.1 -0.710 35.4-174.6 -75.1 111.9 -8.8 12.0 -7.6 25 25 A D > + 0 0 14 60,-2.6 3,-1.1 -2,-0.8 62,-0.3 -0.854 27.7 178.9-128.6 96.9 -11.7 13.6 -5.6 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.2 98,-0.1 0.667 86.6 60.3 -69.9 -18.7 -13.0 12.0 -2.5 27 27 A G T 3 S+ 0 0 14 81,-0.1 2,-0.6 96,-0.1 -1,-0.2 0.642 87.5 89.0 -79.6 -18.0 -15.5 14.8 -2.1 28 28 A A < - 0 0 18 -3,-1.1 59,-3.1 57,-0.2 60,-0.2 -0.732 58.1-164.1 -87.8 119.3 -17.1 14.1 -5.5 29 29 A D S S+ 0 0 49 -2,-0.6 59,-1.1 57,-0.2 2,-0.3 0.873 78.3 33.8 -59.0 -39.6 -20.0 11.5 -5.5 30 30 A D S S- 0 0 50 57,-0.2 2,-0.4 56,-0.1 57,-0.1 -0.828 84.2-109.6-124.8 156.3 -19.7 11.2 -9.2 31 31 A T - 0 0 0 43,-0.5 45,-2.5 -2,-0.3 2,-0.4 -0.733 37.4-175.2 -83.6 126.0 -17.0 11.2 -11.9 32 32 A V E -gH 76 84B 5 52,-1.7 52,-3.3 -2,-0.4 2,-0.3 -0.987 2.4-171.9-132.7 122.8 -17.3 14.3 -14.1 33 33 A L E -g 77 0B 0 43,-2.9 45,-2.3 -2,-0.4 47,-0.2 -0.862 29.7-102.5-115.1 148.7 -15.3 15.0 -17.2 34 34 A E S S- 0 0 80 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.132 71.2 -54.5 -57.2 162.1 -14.9 18.0 -19.5 35 35 A E S S+ 0 0 118 43,-0.2 2,-0.3 45,-0.2 -1,-0.2 -0.104 80.8 133.6 -51.2 132.4 -16.8 17.9 -22.8 36 36 A M - 0 0 9 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.954 53.2 -94.6-167.6 167.3 -15.9 14.8 -24.9 37 37 A N - 0 0 131 -2,-0.3 0, 0.0 -21,-0.1 0, 0.0 -0.756 36.2-179.9 -96.4 140.1 -17.6 12.1 -26.9 38 38 A L - 0 0 18 -2,-0.4 -2,-0.0 2,-0.1 24,-0.0 -0.982 28.8-104.7-136.9 149.1 -18.5 8.7 -25.4 39 39 A P S S+ 0 0 94 0, 0.0 -23,-0.0 0, 0.0 2,-0.0 -0.275 72.1 7.3 -69.0 154.2 -20.2 5.7 -27.0 40 40 A G S S- 0 0 68 19,-0.1 -2,-0.1 2,-0.0 2,-0.1 -0.185 96.7 -11.7 86.5-163.3 -23.8 4.6 -26.3 41 41 A R + 0 0 228 19,-0.1 19,-0.5 -2,-0.0 2,-0.3 -0.378 54.5 178.7 -81.7 152.2 -26.9 6.0 -24.6 42 42 A W E -I 59 0B 131 17,-0.2 17,-0.2 -2,-0.1 15,-0.0 -0.973 12.2-158.9-146.2 157.1 -26.9 8.9 -22.2 43 43 A K E -I 58 0B 115 15,-1.4 15,-3.4 -2,-0.3 2,-0.1 -0.973 30.7 -99.6-135.2 151.9 -29.5 10.9 -20.2 44 44 A P E +I 57 0B 78 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.384 41.6 174.0 -70.8 152.0 -29.4 14.4 -18.8 45 45 A K E -I 56 0B 72 11,-1.9 11,-3.0 -2,-0.1 2,-0.5 -0.973 25.6-135.1-153.4 149.1 -28.6 15.0 -15.1 46 46 A M E -I 55 0B 114 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.960 21.3-173.3-109.6 130.3 -28.0 18.0 -12.9 47 47 A I E -I 54 0B 17 7,-2.4 7,-2.6 -2,-0.5 2,-0.2 -0.957 9.3-171.9-124.0 147.2 -25.0 17.9 -10.5 48 48 A G E +I 53 0B 36 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.712 23.6 112.3-131.4 170.9 -24.4 20.5 -7.8 49 49 A G E > +I 52 0B 21 3,-0.9 3,-2.5 -2,-0.2 100,-0.1 -0.985 69.2 16.9 162.6-137.5 -22.1 21.9 -5.3 50 50 A I T 3 S+ 0 0 22 -2,-0.3 101,-2.3 1,-0.3 102,-0.5 -0.328 131.5 16.1 -62.0 128.8 -20.0 24.9 -4.7 51 51 A G T 3 S- 0 0 32 128,-0.4 2,-0.3 100,-0.2 -1,-0.3 0.143 121.9 -88.5 96.1 -22.2 -21.2 27.6 -7.1 52 52 A G E < -I 49 0B 26 -3,-2.5 -3,-0.9 100,-0.1 2,-0.3 -0.870 66.1 -30.0 117.2-152.7 -24.5 25.8 -7.9 53 53 A F E -I 48 0B 137 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.745 39.9-164.9-112.4 154.3 -25.5 23.2 -10.5 54 54 A I E -I 47 0B 20 -7,-2.6 -7,-2.4 -2,-0.3 2,-0.4 -0.963 24.6-119.6-128.8 152.5 -24.5 22.3 -14.0 55 55 A K E +I 46 0B 142 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.767 38.5 175.2 -89.8 134.9 -26.3 20.1 -16.6 56 56 A V E -I 45 0B 3 -11,-3.0 -11,-1.9 -2,-0.4 2,-0.5 -0.883 33.3-113.6-133.0 161.8 -24.3 17.0 -17.7 57 57 A R E -IJ 44 77B 54 20,-2.9 20,-2.0 -2,-0.3 2,-0.6 -0.904 30.2-142.7 -97.0 129.1 -24.8 14.0 -19.9 58 58 A Q E -IJ 43 76B 31 -15,-3.4 -15,-1.4 -2,-0.5 2,-0.5 -0.818 17.7-175.5 -97.3 116.4 -24.9 10.7 -17.9 59 59 A Y E -IJ 42 75B 10 16,-2.8 16,-2.8 -2,-0.6 3,-0.3 -0.945 11.5-154.4-109.5 126.3 -23.2 7.7 -19.6 60 60 A D E + 0 0 69 -19,-0.5 14,-0.2 -2,-0.5 -19,-0.1 -0.581 66.6 20.5 -98.2 160.0 -23.4 4.3 -17.8 61 61 A Q E S+ 0 0 161 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.904 78.3 165.6 53.7 52.6 -21.1 1.3 -18.0 62 62 A I E - J 0 73B 15 11,-2.8 11,-1.7 -3,-0.3 2,-0.4 -0.873 34.2-129.8-103.4 131.0 -18.1 3.2 -19.3 63 63 A L E + J 0 72B 128 -2,-0.5 -47,-0.6 9,-0.2 2,-0.3 -0.623 33.5 171.4 -77.3 131.3 -14.6 1.6 -19.2 64 64 A I E -EJ 15 71B 4 7,-2.6 7,-3.1 -2,-0.4 2,-0.5 -0.977 26.0-148.9-138.8 149.1 -11.9 3.8 -17.7 65 65 A E E -EJ 14 70B 54 -51,-2.2 -51,-2.3 -2,-0.3 2,-0.6 -0.996 17.0-166.6-118.9 121.8 -8.3 3.1 -16.7 66 66 A I E > S-EJ 13 69B 0 3,-2.9 3,-2.5 -2,-0.5 -53,-0.2 -0.956 70.7 -29.1-116.5 114.3 -7.2 5.2 -13.7 67 67 A C T 3 S- 0 0 51 -55,-2.2 -1,-0.2 -2,-0.6 -54,-0.1 0.875 129.6 -45.8 49.2 41.7 -3.5 5.3 -13.0 68 68 A G T 3 S+ 0 0 57 -56,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.497 116.6 113.4 80.5 7.8 -3.2 1.9 -14.6 69 69 A H E < - J 0 66B 70 -3,-2.5 -3,-2.9 2,-0.0 2,-0.2 -0.950 61.6-132.9-114.0 124.2 -6.2 0.3 -12.8 70 70 A K E + J 0 65B 165 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.508 32.3 164.5 -77.3 138.7 -9.2 -0.7 -14.8 71 71 A A E - J 0 64B 13 -7,-3.1 -7,-2.6 -2,-0.2 2,-0.4 -0.948 23.5-149.3-141.5 163.2 -12.7 0.3 -13.7 72 72 A I E + J 0 63B 84 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.986 40.2 104.4-130.0 144.7 -16.2 0.4 -15.1 73 73 A G E - 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